cansyl / MDeePredLinks
Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
☆28Updated 4 years ago
Alternatives and similar repositories for MDeePred
Users that are interested in MDeePred are comparing it to the libraries listed below
Sorting:
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 2 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- ☆33Updated last year
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 4 years ago
- ☆38Updated 4 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 4 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Updated 4 years ago
- Generative RNN for molecule de novo design☆19Updated 3 years ago
- Model to predict kinase-ligand pKi values.☆12Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆26Updated 2 years ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Updated 5 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Updated 3 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- Python for chemoinformatics☆51Updated 6 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- ☆17Updated 5 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 5 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- ☆45Updated 4 years ago
- A Python 3 version of the protein descriptor package propy☆46Updated 2 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- ☆19Updated 3 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago